CID 217432

38914-45-3

Structural Information

Molecular Formula
C16H25NOS
SMILES
CC(C)C1=CC=CC=C1OCCCCN2CCSC2
InChI
InChI=1S/C16H25NOS/c1-14(2)15-7-3-4-8-16(15)18-11-6-5-9-17-10-12-19-13-17/h3-4,7-8,14H,5-6,9-13H2,1-2H3
InChIKey
KCTRREVAPRUKIX-UHFFFAOYSA-N
Compound name
3-[4-(2-propan-2-ylphenoxy)butyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.16568 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.172956 168.1
[M+Na]+ 302.154898 172.9
[M-H]- 278.158404 172.5
[M+NH4]+ 297.199503 185.1
[M+K]+ 318.128838 169.4
[M+H-H2O]+ 262.162940 160.3
[M+HCOO]- 324.163881 182.6
[M+CH3COO]- 338.179531 198.9
[M+Na-2H]- 300.140346 165.6
[M]+ 279.16513142 170.0
[M]- 279.16622858 170.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.